SCHEMBL13656359

SCHEMBL13656359

N#Cc1ccc(OCCN2CC3CCCC(C2)O3)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
KCNH2 Q12809 1/20 0.43
LTA4H P09960 1/20 0.41
KDM1A O60341 3/20 0.39
USP30 Q70CQ3 1/20 0.39
ESR1 P03372 3/20 0.37
ESR2 Q92731 1/20 0.37
TRPC6 Q9Y210 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ICMT O60725 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15163384 0.89 KCNH2 (0.45) HRH3KCNH2LTA4HKDM1AUSP30
SCHEMBL13656360 0.88 HRH3 (0.46) HRH3KCNH2KDM1AUSP30GPR119
Hydrochloric Acid SCHEMBL3126726 0.88 KCNH2 (0.44) HRH3KCNH2LTA4HKDM1AUSP30
SCHEMBL15163479 0.88 HRH3 (0.44) HRH3KCNH2LTA4HKDM1AUSP30
Hydrochloric Acid SCHEMBL1618281 0.87 HRH3 (0.43) HRH3KCNH2LTA4HKDM1AUSP30
SCHEMBL3124752 0.87 KCNH2 (0.48) HRH3KCNH2LTA4HKDM1AUSP30
Hydrochloric Acid SCHEMBL3122612 0.87 HRH3 (0.43) HRH3KCNH2LTA4HKDM1AUSP30
Hydrochloric Acid SCHEMBL3132895 0.86 KCNH2 (0.47) HRH3KCNH2LTA4HKDM1AUSP30
SCHEMBL1619397 0.82 HRH3 (0.50) HRH3KCNH2KDM1AUSP30HRH2
SCHEMBL1619391 0.81 KCNH2 (0.48) HRH3KCNH2KDM1AUSP30GPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E HRH3 437/4885KCNH2 8/4885LTA4H 3207/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.